Author(s):   da Silva, G.; Bozzelli, J.W.
Title:   Benzoxyl Radical Decomposition Kinetics: Formation of Benzaldehyde plus H, Phenyl + CH₂O, and Benzene plus HCO
Journal:   J. Phys. Chem. A
Volume:   113
Page(s):   6979 - 6986
Year:   2009
Reference type:   Journal article
Squib:   2009DAS/BOZ6979-6986

Associated entries:

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Rate expression: k(T) = A (T/298 K)ⁿ e^-Ea/RT
Rate expression units:
First order: s^-1
Second order: cm³/molecule s
Third order: cm⁶/molecule² s
R = 8.314472 J / mole K

Energy Units	J	Molecular Units	Molecule
Pressure Units	bar	Temperature Units	K
Base Volume Unit	cm	Reference Temperature	298.0
Evaluation Temperature	298.0

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Squib	Reaction	Temp [K]	A	n	Ea [J/mole]	k(298.00 K)	Order
2009DAS/BOZ6979-6986	C₆H₅CH₂O· → Benzaldehyde + H·	298 - 2000	1.41E16	-5.08	9.31E04	0.68	1
2009DAS/BOZ6979-6986	C₆H₅CH₂O· → CH₂O + Phenyl	298 - 2000	3.11E18	-6.21	1.54E05	2.94E-09	1
2009DAS/BOZ6979-6986	C₆H₅CH₂O· → Benzene + HCO	298 - 2000	1.97E17	-6.09	1.21E05	1.47E-04	1
2009DAS/BOZ6979-6986	C₆H₅CH₂O· → Benzaldehyde + H·	298 - 2000	3.67E12	1.56	7.05E04	1.61	1
2009DAS/BOZ6979-6986	Benzaldehyde + H· → C₆H₅CH₂O·	298 - 2000	4.44E-12	1.67	1.95E04	1.73E-15	2
2009DAS/BOZ6979-6986	Benzaldehyde + H· → C₆H₅CH(·)OH	298 - 2000	1.73E-12	1.77	1.90E04	8.22E-16	2
2009DAS/BOZ6979-6986	C₆H₅CH(·)OH → Benzaldehyde + H·	298 - 2000	1.83E12	1.28	1.54E05	1.79E-15	1
2009DAS/BOZ6979-6986	C₆H₅CH₂O· → C₆H₅CH(·)OH	298 - 2000	6.35E08	4.26	8.31E04	1.73E-06	1
2009DAS/BOZ6979-6986	C₆H₅CH(·)OH → C₆H₅CH₂O·	298 - 2000	8.11E08	3.88	1.67E05	4.01E-21	1
2009DAS/BOZ6979-6986	C₆H₅CH₂O· → 2,5-cyclohexadien-4-formyl-1-yl	298 - 2000	5.64E11	1.43	8.06E04	4.23E-03	1
2009DAS/BOZ6979-6986	2,5-cyclohexadien-4-formyl-1-yl → C₆H₅CH₂O·	298 - 2000	2.25E-05	1.15	1.03E05	2.27E-23	1
2009DAS/BOZ6979-6986	C₆H₅CH₂O· → 1-oxaspiro[2.5]octa-4,7-dien-5-yl	298 - 2000	1.13E12	0.40	4.67E04	7263	1
2009DAS/BOZ6979-6986	1-oxaspiro[2.5]octa-4,7-dien-5-yl → C₆H₅CH₂O·	298 - 2000	1.06E13	-0.03	7029	6.24E11	1
2009DAS/BOZ6979-6986	1-oxaspiro[2.5]octa-4,7-dien-5-yl → C₆H₅OCH₂·	298 - 2000	1.19E13	0.23	4.06E04	9.02E05	1
2009DAS/BOZ6979-6986	C₆H₅OCH₂· → 1-oxaspiro[2.5]octa-4,7-dien-5-yl	298 - 2000	1.09E12	0.44	7.96E04	0.01	1
2009DAS/BOZ6979-6986	2,5-cyclohexadien-4-formyl-1-yl → Benzaldehyde + H·	298 - 2000	2.46E11	1.60	9.85E04	1.32E-06	1
2009DAS/BOZ6979-6986	C₆H₅CH₂O· → CH₂O + Phenyl	298 - 2000	2.67E14	0.16	1.30E05	3.75E-09	1
2009DAS/BOZ6979-6986	C₆H₅OCH₂· → CH₂O + Phenyl	298 - 2000	3.55E14	0.05	1.64E05	5.54E-15	1
2009DAS/BOZ6979-6986	2,5-cyclohexadien-4-formyl-1-yl → Benzene + HCO	298 - 2000	2.48E13	0.23	7.20E04	5.82	1
2009DAS/BOZ6979-6986	Benzene + HCO → 2,5-cyclohexadien-4-formyl-1-yl	298 - 2000	2.10E-15	2.79	4.63E04	1.60E-23	2
2009DAS/BOZ6979-6986	CH₂O + Phenyl → C₆H₅OCH₂·	298 - 2000	7.15E-15	2.69	5.41E04	2.36E-24	2
2009DAS/BOZ6979-6986	CH₂O + Phenyl → C₆H₅CH₂O·	298 - 2000	4.62E-15	2.57	1.94E04	1.86E-18	2
2009DAS/BOZ6979-6986	Benzaldehyde + H· → 2,5-cyclohexadien-4-formyl-1-yl	298 - 2000	7.38E-13	1.98	2.54E04	2.61E-17	2

Search returned 23 records.